SCHEMBL4336624

SCHEMBL4336624

O=C(Nc1ccc2ccccc2c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.65
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
EPHX1 P07099 1/20 0.45
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4336612 0.86 TRPV1 (0.64) TRPV1
SCHEMBL13613712 0.84 TRPV1 (0.65) TRPV1NPC1MAPTRAB9A
SCHEMBL4336888 0.84 TRPV1 (0.77) TRPV1NPC1MAPTRAB9AEPHX1
SCHEMBL13613700 0.84 TRPV1 (0.59) TRPV1
SCHEMBL13613710 0.83 TRPV1 (0.64) TRPV1
SCHEMBL4341558 0.83 TRPV1 (0.58) TRPV1MAPTEPHX1
SCHEMBL4339316 0.83 TRPV1 (0.58) TRPV1MAPTEPHX1
SCHEMBL207508 0.83 TRPV1 (0.63) TRPV1GRIK1
SCHEMBL13613604 0.83 TRPV1 (0.63) TRPV1NPC1MAPTRAB9A
SCHEMBL4340613 0.83 TRPV1 (0.69) TRPV1NPC1MAPTRAB9AGRIK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US claimed
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP claimed
US-20060258742-A1 Hydroxy tetrahydro-naphthalenylurea derivatives BAYER HEAITHCARE AG (DE) 2006-11-16 US claimed
EP-1506167-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2005-02-16 EP claimed
WO-2003095420-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-20 WO claimed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP disclosed
US-20060258742-A1 Hydroxy tetrahydro-naphthalenylurea derivatives BAYER HEAITHCARE AG (DE) 2006-11-16 US disclosed
EP-1506167-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2005-02-16 EP disclosed
WO-2003095420-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060258742-A1 Hydroxy tetrahydro-naphthalenylurea derivatives NMUR1, HVCN1, GPR17 TRPV1 18/4885NPC1 1211/4885MAPT 2648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.